SCHEMBL9706486

SCHEMBL9706486

Cc1cccc(C)c1NC(=O)CCCn1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
HCRTR1 O43613 1/20 0.53
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
GAA P10253 1/20 0.50
ALDH1A1 P00352 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL9706367 0.99 MEN1 (0.55) MEN1KMT2AHDAC3HDAC4HDAC1
Fumaric Acid SCHEMBL9706480 0.93 MEN1 (0.50) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL6243922 0.84 KDM4E (0.56) MEN1KMT2AMAPK1MAPTGAA
SCHEMBL11261485 0.76 TBXAS1 (0.60) MEN1KMT2AMAPK1ALDH1A1LMNA
SCHEMBL9706477 0.76 MEN1 (0.58) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL14255017 0.75 TBXAS1 (0.66) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL14255015 0.75 TBXAS1 (0.66) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL11265758 0.74 CYP11B1 (0.56) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL9706487 0.74 KMT2A (0.55) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL10457421 0.73 MAPK1 (0.58) MEN1KMT2AHDAC3HDAC4HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0198325-B1 SUBSTITUTED ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1992-07-15 EP disclosed
US-4891429-A CHEMICAL INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 1990-01-02 US disclosed
US-4696930-A CARDIOVASCULAR DISORDERS, ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1987-09-29 US disclosed
EP-0198325-A2 Substituted aniline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1986-10-22 EP disclosed